3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile

C10H8F3N3 — CID 169484211

IUPAC3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#CC=Cc1ccc(C(F)(F)F)cc1NN
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-4-3-7(2-1-5-14)9(6-8)16-15/h1-4,6,16H,15H2
InChIKeyYMYDPSNSBCJPTA-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.53
Rot. Bonds2

About 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile

3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile (PubChem CID 169484211) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile
PubChem CID169484211
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#CC=Cc1ccc(C(F)(F)F)cc1NN
InChIInChI=1S/C10H8F3N3/c11-10(12,13)8-4-3-7(2-1-5-14)9(6-8)16-15/h1-4,6,16H,15H2
InChIKeyYMYDPSNSBCJPTA-UHFFFAOYSA-N
XLogP2.53
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 169483867
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
tert-butyl N-[3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169468370
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
3-[4-(trifluoromethyl)anilino]prop-2-enenitrile
CID 151510157
3-[4-chloro-2-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 169483865
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile
CID 169464354
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
4-(trifluoromethyl)phthalaldehyde
CID 23496648
methyl (E)-3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 15453700
2-[2,5-bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168601022
(Z)-3-amino-2-hydrazinyl-3-[2-[(E)-2-phenylethenyl]-5-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 170147225

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The IUPAC name of 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile (CID 169484211) is 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The canonical SMILES for 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile is N#CC=Cc1ccc(C(F)(F)F)cc1NN.
What is the InChIKey of 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The InChIKey is YMYDPSNSBCJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)8-4-3-7(2-1-5-14)9(6-8)16-15/h1-4,6,16H,15H2.
What are the key properties of 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile?
3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile has a molecular weight of 227.19 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 169484211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).